2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide; dichloride

Systemtic Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide; dichloride Openeye Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide; dichloride CAS Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide; dichloride IUPAC Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide; dichloride Traditional Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide; dichloride Formula: C48H52Cl2Zr-2 MolecularWeight: 791.05648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2[CH-]C3=CC(=C(C=C3C2=C1)C(C)(C)C)C4=CC=CC=C4)C5=CC=CC=C5.C1C=CC=[C-]1.C1C2CC3CC1CC(C2)C3=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=C(C=C2[CH-]C3=CC(=C(C=C3C2=C1)C(C)(C)C)C4=CC=CC=C4)C5=CC=CC=C5.C1C=CC=[C-]1.C1C2CC3CC1CC(C2)C3=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/C33H33.C10H14.C5H5.2ClH.Zr/c1-32(2,3)30-20-26-24(18-28(30)22-13-9-7-10-14-22)17-25-19-29(23-15-11-8-12-16-23)31(21-27(25)26)33(4,5)6;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-4-5-3-1;;;/h7-21H,1-6H3;7-10H,1-5H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2